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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020046

[(10R,11R,12R,13S,15R)-13-(3,4-dihydroxy-5-methoxybenzoyl)oxy-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

Formula: C35H28O22  |  Mol. Weight: 800.60 g/mol

IUPAC: [(10R,11R,12R,13S,15R)-13-(3,4-dihydroxy-5-methoxybenzoyl)oxy-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C35H28O22
Molecular Weight 800.60 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)O)C(=O)OC2C(C(C3C(O2)COC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy